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热区:预测热点簇的数据库。

HotRegion: a database of predicted hot spot clusters.

机构信息

Center for Computational Biology and Bioinformatics and College of Engineering, Koc University, Rumelifeneri Yolu, 34450 Sariyer Istanbul, Turkey.

出版信息

Nucleic Acids Res. 2012 Jan;40(Database issue):D829-33. doi: 10.1093/nar/gkr929. Epub 2011 Nov 12.

DOI:10.1093/nar/gkr929
PMID:22080558
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3245113/
Abstract

Hot spots are energetically important residues at protein interfaces and they are not randomly distributed across the interface but rather clustered. These clustered hot spots form hot regions. Hot regions are important for the stability of protein complexes, as well as providing specificity to binding sites. We propose a database called HotRegion, which provides the hot region information of the interfaces by using predicted hot spot residues, and structural properties of these interface residues such as pair potentials of interface residues, accessible surface area (ASA) and relative ASA values of interface residues of both monomer and complex forms of proteins. Also, the 3D visualization of the interface and interactions among hot spot residues are provided. HotRegion is accessible at http://prism.ccbb.ku.edu.tr/hotregion.

摘要

热点是蛋白质界面上重要的能量残基,它们不是随机分布在界面上,而是聚集在一起的。这些聚集的热点形成了热点区域。热点区域对于蛋白质复合物的稳定性很重要,同时也为结合位点提供了特异性。我们提出了一个名为 HotRegion 的数据库,该数据库通过使用预测的热点残基以及这些界面残基的结构特性,如界面残基的对势能、可及表面积 (ASA) 和蛋白质单体和复合物形式的界面残基的相对 ASA 值,提供了界面的热点区域信息。此外,还提供了热点残基之间的界面和相互作用的 3D 可视化。HotRegion 可在 http://prism.ccbb.ku.edu.tr/hotregion 访问。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b093/3245113/ab2fca983b8d/gkr929f2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b093/3245113/1c934e573c23/gkr929f1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b093/3245113/ab2fca983b8d/gkr929f2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b093/3245113/1c934e573c23/gkr929f1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b093/3245113/ab2fca983b8d/gkr929f2.jpg

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